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Home > Nitro Compounds > 337498-41-6
337498-41-6 | 2-[5-(4-Methoxy-phenyl)-2H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-nitro-phenyl)-acetamide
CAS No: 337498-41-6 Catalog No: AG01EVJN MDL No:
Product Description
Catalog Number:
AG01EVJN
Chemical Name:
2-[5-(4-Methoxy-phenyl)-2H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-nitro-phenyl)-acetamide
CAS Number:
337498-41-6
Molecular Formula:
C17H15N5O4S
Molecular Weight:
385.3971
IUPAC Name:
2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
InChI:
InChI=1S/C17H15N5O4S/c1-26-14-8-2-11(3-9-14)16-19-17(21-20-16)27-10-15(23)18-12-4-6-13(7-5-12)22(24)25/h2-9H,10H2,1H3,(H,18,23)(H,19,20,21)
InChI Key:
YUBMNEFEDCLGRP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1n[nH]c(n1)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.084g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
385.398g/mol
Monoisotopic Mass:
385.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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